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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H22F2N4O4
Molecular Weight 456.442
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0
Stereo Comments Relative configuration

SHOW SMILES / InChI
Structure of BMS-180431-09 FREE ACID, CIS-

SMILES

CN1N=NN=C1C(\C=C\[C@H](O)C[C@@H](O)CC(O)=O)=C(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3

InChI

InChIKey=HPFIYXJJZZWEPC-VIBWXPCQSA-N
InChI=1S/C23H22F2N4O4/c1-29-23(26-27-28-29)20(11-10-18(30)12-19(31)13-21(32)33)22(14-2-6-16(24)7-3-14)15-4-8-17(25)9-5-15/h2-11,18-19,30-31H,12-13H2,1H3,(H,32,33)/b11-10+/t18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H22F2N4O4
Molecular Weight 456.442
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:37:11 GMT 2023
Edited
by admin
on Sat Dec 16 14:37:11 GMT 2023
Record UNII
UMD77F49VU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-180431-09 FREE ACID, CIS-
Code English
BMY-21950 FREE ACID, CIS-
Code English
Code System Code Type Description
PUBCHEM
14723842
Created by admin on Sat Dec 16 14:37:12 GMT 2023 , Edited by admin on Sat Dec 16 14:37:12 GMT 2023
PRIMARY
FDA UNII
UMD77F49VU
Created by admin on Sat Dec 16 14:37:12 GMT 2023 , Edited by admin on Sat Dec 16 14:37:12 GMT 2023
PRIMARY
Related Record Type Details
EPIMER -> DIASTEREOISOMER
EPIMER -> DIASTEREOISOMER